3'-O-(5-氟-2,4-二硝基苯基)二磷酸腺苷醚
[CAS# 117414-72-9]

基本信息

• 产品名称: 3'-O-(5-氟-2,4-二硝基苯基)二磷酸腺苷醚
• 英文名: 3'-O-(5-Fluoro-2,4-Dinitrophenyl)Adp Ether
• 别名: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3-(5-Fluoro-2,4-Dinitro-Phenoxy)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3-(5-Fluoro-2,4-Dinitrophenoxy)-4-Hydroxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3-(5-Fluoro-2,4-Dinitro-Phenoxy)-4-Hydroxy-Oxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
• 分子式: C₁₆H₁₆FN₇O₁₄P₂
• 分子量: 613.28
• CAS 登录号: 117414-72-9
• 分子行输入简码 SMILES: [C@@H]2(CO[P](O[P](O)(=O)O)(O)=O)[C@@H](OC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F)[C@@H](O)[C@@H](O2)[N]3[14CH]=NC4=C3N=CN=C4N
• 国际化学标识码 InChI: 1S/C16H16FN7O14P2/c17-6-1-9(8(24(28)29)2-7(6)23(26)27)36-13-10(3-35-40(33,34)38-39(30,31)32)37-16(12(13)25)22-5-21-11-14(18)19-4-20-15(11)22/h1-2,4-5,10,12-13,16,25H,3H2,(H,33,34)(H2,18,19,20)(H2,30,31,32)/t10-,12-,13-,16-/m1/s1/i5+2
• 国际化学标识检索码 InChIKey: HXFSLECKHFOJGS-PEAUNDLMSA-N

物理化学性质

• 密度: 2.34g/cm³ （计算值）